![CAS 29909-46-4 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanethiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29909-46-4.gif)
CAS RN: 29909-46-4
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanethiol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29909-46-4
- Purity/Analytical Methods: >99.0%
29909-46-4 / 3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propane-1-thiol
Basic Information
CAS
29909-46-4
Multi CAS
No
Molecular Formula
C9H19NO3SSi
Molecular Weight
249.400000
Exact Mass
249.085491
InChI
InChI=1S/C9H19NO3SSi/c14-8-1-9-15-11-5-2-10(3-6-12-15)4-7-13-15/h14H,1-9H2
InChIKey
VAMRSLPZSVGKAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.33
TPSA
30.93
LogP / Solubility
WLOGP
0.62
MLOGP
0.56
XLogP3
0.62
Consensus LogP
0.6
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 29913-71-1 2-Propen-1-one,1-[4-[(2-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)oxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29913-71-1.gif)
